SCHEMBL28778598

SCHEMBL28778598

CCN1CCN(c2ccccc2-c2nc(N)nc(Nc3ccc4oc(=O)[nH]c4c3)c2C)CC1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 17/20 0.41
▸ JAK3 P52333 17/20 0.41
▸ JAK2 O60674 7/20 0.41
▸ CYP3A4 P08684 5/20 0.41
▸ SYK P43405 2/20 0.36
▸ MAPKAPK2 P49137 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ P2RX3 P56373 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28778536 0.85 JAK1 (0.42) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28944378 0.84 JAK1 (0.41) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778532 0.83 JAK1 (0.43) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778723 0.83 JAK1 (0.41) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778538 0.83 JAK1 (0.41) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778533 0.83 JAK1 (0.41) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778610 0.83 JAK1 (0.40) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778576 0.83 JAK1 (0.40) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778620 0.83 JAK1 (0.42) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778616 0.82 JAK1 (0.42) JAK1JAK3JAK2CYP3A4SYK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114698370-A Compounds and methods for treating cytokine release syndrome 里格尔药品股份有限公司 2022-07-01 — — CN disclosed
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